methylcyclopentane; titanium(4+); 2-(2,4,6-trimethylphenyl)sulfanylethanoate

Systemtic Name: methylcyclopentane; titanium(4+); 2-(2,4,6-trimethylphenyl)sulfanylethanoate Openeye Name: methylcyclopentane; titanium(4+); 2-(2,4,6-trimethylphenyl)sulfanylacetate CAS Name: methylcyclopentane; titanium(4+); 2-[(2,4,6-trimethylphenyl)thio]acetate IUPAC Name: methylcyclopentane; titanium(4+); 2-(2,4,6-trimethylphenyl)sulfanylacetate Traditional Name: 2-(mesitylthio)acetate; methylcyclopentane; titanium(4+) Formula: C34H40O4S2Ti+2 MolecularWeight: 624.676

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Descriptors Computed from Structure

Canonical SMILES:

C[C]1[CH][CH][CH][CH]1.C[C]1[CH][CH][CH][CH]1.CC1=CC(=C(C(=C1)C)SCC(=O)[O-])C.CC1=CC(=C(C(=C1)C)SCC(=O)[O-])C.[Ti+4]

Isomeric SMILES

C[C]1[CH][CH][CH][CH]1.C[C]1[CH][CH][CH][CH]1.CC1=CC(=C(C(=C1)C)SCC(=O)[O-])C.CC1=CC(=C(C(=C1)C)SCC(=O)[O-])C.[Ti+4]

InChI

InChI=1S/2C11H14O2S.2C6H7.Ti/c2*1-7-4-8(2)11(9(3)5-7)14-6-10(12)13;2*1-6-4-2-3-5-6;/h2*4-5H,6H2,1-3H3,(H,12,13);2*2-5H,1H3;/q;;;;+4/p-2